MolNFT v1 · #24233 · protein
Crystal structure of pseudomonas aeruginosa lectin 1 in the calcium- free state
1UOJ · Pa-I galactophilic lectin: “Crystal structure of pseudomonas aeruginosa lectin 1 in the calcium- free state”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.67). MolNFT v1 #24233 on GenesisL1: 3D structure, binding…
- PDB
- 1UOJ
- Type
- protein
- Length
- 484 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pa-I galactophilic lectin
- UniProt
- Q05097
- Ligands
- SO4
- Pockets
- 1 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 2% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Pa-I galactophilic lectin | protein | 121 | 2% helix, 45% strand | Q05097 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 68 | 0.67 | 0.94 | 24 | SO4 |
Interfaces
6 interfaces between chains.
- C–D · 1124 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 1110 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 394 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 363 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 245 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 1UOJ · Crystal structure of pseudomonas aeruginosa lectin 1 in the calcium-free state · the same entry in another collection · chain A against A, TM-score 1.00
- Q05097 · AlphaFold monomer V2.0 prediction for pa-I galactophilic lectin (Q05097) · a predicted model of the same protein · chain A against A, TM-score 0.97
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q05097
- Elsewhere: RCSB PDB 1UOJ · PDBe 1UOJ · UniProt Q05097
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